N-[2-hydroxy-7-methyl-9-(4-methyl-2-prop-2-enylphenyl)deca-6,8-dienyl]acetamide

Details

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Internal ID b49081cf-93fb-4b65-80d2-73d59791f29d
Taxonomy Benzenoids > Benzene and substituted derivatives > Phenylpropenes
IUPAC Name N-[2-hydroxy-7-methyl-9-(4-methyl-2-prop-2-enylphenyl)deca-6,8-dienyl]acetamide
SMILES (Canonical) CC1=CC(=C(C=C1)C(=CC(=CCCCC(CNC(=O)C)O)C)C)CC=C
SMILES (Isomeric) CC1=CC(=C(C=C1)C(=CC(=CCCCC(CNC(=O)C)O)C)C)CC=C
InChI InChI=1S/C23H33NO2/c1-6-9-21-15-18(3)12-13-23(21)19(4)14-17(2)10-7-8-11-22(26)16-24-20(5)25/h6,10,12-15,22,26H,1,7-9,11,16H2,2-5H3,(H,24,25)
InChI Key QJKGYXCGORWKGX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H33NO2
Molecular Weight 355.50 g/mol
Exact Mass 355.251129295 g/mol
Topological Polar Surface Area (TPSA) 49.30 Ų
XlogP 5.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[2-hydroxy-7-methyl-9-(4-methyl-2-prop-2-enylphenyl)deca-6,8-dienyl]acetamide

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3401 O75469 Pregnane X receptor 97.32% 94.73%
CHEMBL2581 P07339 Cathepsin D 97.15% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.92% 91.11%
CHEMBL240 Q12809 HERG 94.65% 89.76%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.96% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.94% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.79% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.70% 99.17%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 87.25% 97.21%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 85.07% 89.34%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.67% 90.71%
CHEMBL340 P08684 Cytochrome P450 3A4 84.30% 91.19%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 84.22% 95.17%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 82.12% 96.90%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.98% 95.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 20979979
LOTUS LTS0212621
wikiData Q104195891